The existing procedures for calculating thermodynamic functions of individual compounds of coal organic matter were analyzed, and possible reactions of its degradation were simulated. The possibility of the occurrence of pyrolysis reactions in the forward direction with the formation of methane, propane, and other saturated hydrocarbons as target products was examined by calculation of the Gibbs energies using an additive procedure for determining the thermodynamic functions of structural fragments and data on the composition of coal from Kuznetsk coal fields. The chemical and thermodynamic relationships between the starting compounds and pyrolysis products were examined, and the temperature intervals of the reactions were determined.
Russian Journal of Applied Chemistry – Springer Journals
Published: Mar 28, 2009
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